1,2-bis(3-hydroxyphenyl)ethane-1,2-dione

C14H10O4 — CID 13158606

IUPAC1,2-bis(3-hydroxyphenyl)ethane-1,2-dione
SMILESO=C(C(=O)c1cccc(O)c1)c1cccc(O)c1
InChIInChI=1S/C14H10O4/c15-11-5-1-3-9(7-11)13(17)14(18)10-4-2-6-12(16)8-10/h1-8,15-16H
InChIKeyNRVBEDFRJZDULS-UHFFFAOYSA-N
MW242.23 g/mol
LogP2.16
Rot. Bonds3

About 1,2-bis(3-hydroxyphenyl)ethane-1,2-dione

1,2-bis(3-hydroxyphenyl)ethane-1,2-dione (PubChem CID 13158606) has the molecular formula C14H10O4 and a molecular weight of 242.23 g/mol. Its IUPAC name is 1,2-bis(3-hydroxyphenyl)ethane-1,2-dione.

Molecular Properties

Compound Name1,2-bis(3-hydroxyphenyl)ethane-1,2-dione
PubChem CID13158606
Molecular FormulaC14H10O4
Molecular Weight242.23 g/mol
Exact Mass242.06
IUPAC Name1,2-bis(3-hydroxyphenyl)ethane-1,2-dione
SMILESO=C(C(=O)c1cccc(O)c1)c1cccc(O)c1
InChIInChI=1S/C14H10O4/c15-11-5-1-3-9(7-11)13(17)14(18)10-4-2-6-12(16)8-10/h1-8,15-16H
InChIKeyNRVBEDFRJZDULS-UHFFFAOYSA-N
XLogP2.16
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2-bis(3-hydroxyphenyl)ethane-1,2-dione?
The IUPAC name of 1,2-bis(3-hydroxyphenyl)ethane-1,2-dione (CID 13158606) is 1,2-bis(3-hydroxyphenyl)ethane-1,2-dione.
What is the SMILES notation for 1,2-bis(3-hydroxyphenyl)ethane-1,2-dione?
The canonical SMILES for 1,2-bis(3-hydroxyphenyl)ethane-1,2-dione is O=C(C(=O)c1cccc(O)c1)c1cccc(O)c1.
What is the InChIKey of 1,2-bis(3-hydroxyphenyl)ethane-1,2-dione?
The InChIKey is NRVBEDFRJZDULS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O4/c15-11-5-1-3-9(7-11)13(17)14(18)10-4-2-6-12(16)8-10/h1-8,15-16H.
What are the key properties of 1,2-bis(3-hydroxyphenyl)ethane-1,2-dione?
1,2-bis(3-hydroxyphenyl)ethane-1,2-dione has a molecular weight of 242.23 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(3-hydroxyphenyl)ethane-1,2-dione is sourced from PubChem (CID 13158606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).